Hexyl 2-methylbutyrate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    10032-15-2

    Molecular formula
    C11H22O2

    SMILES
    CCCCCCOC(=O)C(C)CC

    Safety labels

    Flammable
    Flammable

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1237.0
    • Carbowax: 1429.0

  • Odor profile

    Fruity 95.39%
    Green 82.87%
    Apple 72.52%
    Herbal 56.53%
    Tropical 55.88%
    Sweet 55.28%
    Waxy 54.78%
    Pear 48.42%
    Banana 48.14%
    Fatty 46.7%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.28 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 105.00 °C. @ 30.00 mm Hg

    Flash point est.
    82.25 ˚C

    Solubility expt.

    • very slightly
    • soluble in alcohol, most fixed oils; insoluble in water

  • Synonyms

    • Hexyl 2-methylbutanoate
    • Hexyl 2-methylbutyrate
    • 10032-15-2
    • Butanoic acid, 2-methyl-, hexyl ester
    • BUTYRIC ACID, 2-METHYL-, HEXYL ESTER
    • FEMA No. 3499
    • 2-Methylbutanoic acid, n-hexyl ester
    • Hexyl 2-methylbutanoate (natural)
    • EINECS 233-106-2
    • UI17LL5Q4P
    • BRN 1856407
    • DTXSID4047599
    • AI3-33623
    • n-Hexyl 2-methylbutanoate
    • n-Hexyl 2-methyl butyrate
    • DTXCID2027599
    • N-HEXYL 2-METHYLBUTYRATE
    • HEXYL 2-METHYLBUTYRATE [FCC]
    • HEXYL 2-METHYLBUTYRATE [FHFI]
    • hexyl 2-methyl butyrate
    • exyl 2-methylbutanoate
    • UNII-UI17LL5Q4P
    • HEXYL-2-METHYLBUTYRATE
    • Hexyl 2-methylbutanoate #
    • SCHEMBL573736
    • CHEMBL3561573
    • FEMA 3499
    • CHEBI:156491
    • Tox21_302599
    • LMFA07010906
    • MFCD00048880
    • AKOS015903802
    • NCGC00256766-01
    • AS-76706
    • CAS-10032-15-2
    • CS-0439610
    • H1788
    • Hexyl 2-methylbutanoate, >=95%, FCC, FG
    • NS00012614
    • F86955
    • Hexyl 2-methylbutanoate, analytical reference material
    • Q27291087
    • 233-106-2

  • Applications

    Hexyl 2-methylbutanoate (CAS 10032-15-2) is a naturally occurring fruity ester found in apples, pears and peaches, thus prized by the flavour and fragrance industry for delivering sweet, juicy, slightly green top notes to beverage concentrates, confectionery, baked goods and even cider or wine; in cosmetics and fine perfumery it imparts a “fresh-cut fruit” nuance, softens harsh aldehydic facets and extends the diffusion of white-flower accords; household-care formulators use its pleasant aroma to mask chemical odours in dishwashing liquids and floor cleaners; the compound also serves as a bio-indicator in entomological studies because it can mimic certain drosophilid pheromones, making it useful in monitoring pest populations in orchards; chemically, it remains stable at neutral pH and dissolves readily in ethanol and oily carriers, enabling easy incorporation into both emulsion and hydro-alcoholic systems.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24758.36
    methanol 24385.17
    isopropanol 22258.21
    water 1.12
    ethyl acetate 25799.63
    n-propanol 19590.04
    acetone 36689.64
    n-butanol 18087.06
    acetonitrile 30037.63
    DMF 18112.61
    toluene 6633.18
    isobutanol 17261.51
    1,4-dioxane 19523.36
    methyl acetate 17070.6
    THF 19906.03
    2-butanone 23481.45
    n-pentanol 11333.76
    sec-butanol 19646.94
    n-hexane 5290.07
    ethylene glycol 1054.82
    NMP 11452.59
    cyclohexane 6720.82
    DMSO 14512.68
    n-butyl acetate 22010.61
    n-octanol 5302.42
    chloroform 33628.18
    n-propyl acetate 16319.83
    acetic acid 14804.1
    dichloromethane 30799.08
    cyclohexanone 27698.34
    propylene glycol 2208.83
    isopropyl acetate 15523.95
    DMAc 10421.1
    2-ethoxyethanol 8971.41
    isopentanol 17361.4
    n-heptane 1864.88
    ethyl formate 12927.7
    1,2-dichloroethane 22817.95
    n-hexanol 11089.09
    2-methoxyethanol 13634.2
    isobutyl acetate 8312.53
    tetrachloromethane 6602.86
    n-pentyl acetate 11046.73
    transcutol 24386.13
    n-heptanol 4731.92
    ethylbenzene 4370.94
    MIBK 10279.11
    2-propoxyethanol 11001.17
    tert-butanol 23940.25
    MTBE 28879.5
    2-butoxyethanol 6384.74
    propionic acid 11285.13
    o-xylene 3852.78
    formic acid 2472.11
    diethyl ether 26847.14
    m-xylene 3912.62
    p-xylene 6123.54
    chlorobenzene 11136.96
    dimethyl carbonate 2652.65
    n-octane 853.58
    formamide 4404.56
    cyclopentanone 20538.11
    2-pentanone 21078.92
    anisole 6644.54
    cyclopentyl methyl ether 12934.31
    gamma-butyrolactone 18939.24
    1-methoxy-2-propanol 10016.28
    pyridine 20339.08
    3-pentanone 12036.72
    furfural 12254.84
    n-dodecane 469.95
    diethylene glycol 4148.4
    diisopropyl ether 7056.89
    tert-amyl alcohol 21096.3
    acetylacetone 14663.24
    n-hexadecane 565.78
    acetophenone 5932.53
    methyl propionate 11953.49
    isopentyl acetate 16527.43
    trichloroethylene 36458.5
    n-nonanol 4077.63
    cyclohexanol 16425.37
    benzyl alcohol 4870.1
    2-ethylhexanol 7371.6
    isooctanol 4136.02
    dipropyl ether 9781.7
    1,2-dichlorobenzene 8336.45
    ethyl lactate 2807.06
    propylene carbonate 9810.87
    n-methylformamide 10434.25
    2-pentanol 15015.0
    n-pentane 3373.03
    1-propoxy-2-propanol 9747.64
    1-methoxy-2-propyl acetate 8823.1
    2-(2-methoxypropoxy) propanol 3818.94
    mesitylene 2630.82
    ε-caprolactone 20703.05
    p-cymene 2364.53
    epichlorohydrin 21191.26
    1,1,1-trichloroethane 24216.45
    2-aminoethanol 3927.69
    morpholine-4-carbaldehyde 10508.3
    sulfolane 13915.8
    2,2,4-trimethylpentane 1384.35
    2-methyltetrahydrofuran 22091.18
    n-hexyl acetate 11996.37
    isooctane 1116.42
    2-(2-butoxyethoxy)ethanol 6037.7
    sec-butyl acetate 10197.06
    tert-butyl acetate 12033.87
    decalin 2103.52
    glycerin 2039.83
    diglyme 11883.76
    acrylic acid 7033.58
    isopropyl myristate 3157.13
    n-butyric acid 22493.33
    acetyl acetate 10043.15
    di(2-ethylhexyl) phthalate 2008.12
    ethyl propionate 10939.82
    nitromethane 23879.05
    1,2-diethoxyethane 15986.49
    benzonitrile 10782.37
    trioctyl phosphate 1673.61
    1-bromopropane 18001.89
    gamma-valerolactone 20764.92
    n-decanol 2604.09
    triethyl phosphate 2297.22
    4-methyl-2-pentanol 6430.1
    propionitrile 20056.64
    vinylene carbonate 8832.16
    1,1,2-trichlorotrifluoroethane 10560.17
    DMS 4873.89
    cumene 2756.56
    2-octanol 4278.89
    2-hexanone 14246.92
    octyl acetate 3885.01
    limonene 4418.93
    1,2-dimethoxyethane 19319.79
    ethyl orthosilicate 2458.72
    tributyl phosphate 2439.17
    diacetone alcohol 8197.54
    N,N-dimethylaniline 3826.05
    acrylonitrile 17838.14
    aniline 8016.31
    1,3-propanediol 7425.19
    bromobenzene 12435.98
    dibromomethane 23170.93
    1,1,2,2-tetrachloroethane 28043.26
    2-methyl-cyclohexyl acetate 4967.73
    tetrabutyl urea 2873.17
    diisobutyl methanol 3503.65
    2-phenylethanol 4905.71
    styrene 6104.8
    dioctyl adipate 3421.71
    dimethyl sulfate 3187.73
    ethyl butyrate 10677.53
    methyl lactate 2730.07
    butyl lactate 5081.29
    diethyl carbonate 4978.22
    propanediol butyl ether 4965.99
    triethyl orthoformate 5011.18
    p-tert-butyltoluene 2159.66
    methyl 4-tert-butylbenzoate 3803.86
    morpholine 26048.0
    tert-butylamine 17749.85
    n-dodecanol 1792.77
    dimethoxymethane 9319.34
    ethylene carbonate 9031.51
    cyrene 2524.99
    2-ethoxyethyl acetate 9348.94
    2-ethylhexyl acetate 11647.25
    1,2,4-trichlorobenzene 8263.19
    4-methylpyridine 21494.37
    dibutyl ether 10395.92
    2,6-dimethyl-4-heptanol 3503.65
    DEF 18861.11
    dimethyl isosorbide 5650.11
    tetrachloroethylene 18061.25
    eugenol 3508.35
    triacetin 5112.47
    span 80 4116.2
    1,4-butanediol 2917.63
    1,1-dichloroethane 30478.69
    2-methyl-1-pentanol 10704.72
    methyl formate 6757.73
    2-methyl-1-butanol 15939.74
    n-decane 1048.59
    butyronitrile 26026.78
    3,7-dimethyl-1-octanol 5152.81
    1-chlorooctane 4322.3
    1-chlorotetradecane 1206.08
    n-nonane 1178.65
    undecane 654.33
    tert-butylcyclohexane 1898.74
    cyclooctane 1465.84
    cyclopentanol 12896.69
    tetrahydropyran 30879.0
    tert-amyl methyl ether 14824.94
    2,5,8-trioxanonane 5768.84
    1-hexene 14741.1
    2-isopropoxyethanol 7006.31
    2,2,2-trifluoroethanol 3068.53
    methyl butyrate 18114.93

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Lemon verbena (Morocco) 1 Aloysia triphylla (L'Herit.) Britton (Lippia citriodora (Lam.) O. Kuntze) 0.3%
Lavandin (France) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 0.05%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.12%
Spike lavender 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.06%
Spike lavender (Spain) 5 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.42%
Spike lavender (Iran) 1a fresh 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.2%
Spike lavender (Iran) 1b dry 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.2%
Heracleum persicum (Iran) 1c flower Heracleum persicum L., fam. Apiaceae (Umbelliferae) 0.5%
Tordylium pustulosum fruit (Turkey) Tordylium pustulosum Boiss., fam. Apiaceae (Umbelliferae) 0.3%
Lavandin (Hvar) 8022-15-9 Lavandula x hybrida 0.44%